2,5-Dibromotoluene - CAS 615-59-8
Catalog: |
BB031179 |
Product Name: |
2,5-Dibromotoluene |
CAS: |
615-59-8 |
Synonyms: |
1,4-dibromo-2-methylbenzene |
IUPAC Name: | 1,4-dibromo-2-methylbenzene |
Description: | 2,5-Dibromotoluene (CAS# 615-59-8) is a useful research chemical. |
Molecular Weight: | 249.93 |
Molecular Formula: | C7H6Br2 |
Canonical SMILES: | CC1=C(C=CC(=C1)Br)Br |
InChI: | InChI=1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 |
InChI Key: | QKEZTJYRBHOKHH-UHFFFAOYSA-N |
Boiling Point: | 135-136 ℃ (35 mmHg) |
Density: | 1.815 g/cm3 |
Appearance: | Clear colourless to yellowish liquid |
MDL: | MFCD00000090 |
LogP: | 3.52000 |
GHS Hazard Statement: | H315 (91.84%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17132244 | 20061001 | Cyanide and thiocyanate in human saliva by gas chromatography-mass spectrometry | Journal of analytical toxicology |
Complexity: | 92.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.88158 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.88363 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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